N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide

C15H21NO3 — CID 94598600

IUPACN-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
SMILESO=C(NCCCOC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO3/c17-15(13-6-2-1-3-7-13)16-9-5-10-18-12-14-8-4-11-19-14/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)/t14-/m0/s1
InChIKeyICNSMKUDWFHAHZ-AWEZNQCLSA-N
MW263.34 g/mol
LogP2.00
Rot. Bonds7

About N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide

N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide (PubChem CID 94598600) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
PubChem CID94598600
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
SMILESO=C(NCCCOC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO3/c17-15(13-6-2-1-3-7-13)16-9-5-10-18-12-14-8-4-11-19-14/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)/t14-/m0/s1
InChIKeyICNSMKUDWFHAHZ-AWEZNQCLSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 78817984
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 86909424
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
CID 107261499
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 56503491

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide?
The IUPAC name of N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide (CID 94598600) is N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide.
What is the SMILES notation for N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide?
The canonical SMILES for N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide is O=C(NCCCOC[C@@H]1CCCO1)c1ccccc1.
What is the InChIKey of N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide?
The InChIKey is ICNSMKUDWFHAHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO3/c17-15(13-6-2-1-3-7-13)16-9-5-10-18-12-14-8-4-11-19-14/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)/t14-/m0/s1.
What are the key properties of N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide?
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide is sourced from PubChem (CID 94598600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).